| CAS Number | 145591-80-6 |
| Catalog Number | AG00ABJO(AGN-PC-023PAB) |
| Chemical Name | Cyclopropanecarboxylic acid, 1-[(phenylamino)carbonyl]- |
| IUPAC Name | 1-(phenylcarbamoyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C11H11NO3/c13-9(11(6-7-11)10(14)15)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)(H,14,15) |
| InChI Key | KDXROTVXLGAFGW-UHFFFAOYSA-N |
| MDL Number | MFCD16669493 |
| Molecular Formula | C11H11NO3 |
| Molecular Weight | 205.2099 |
| SMILES | C(=O)(Nc1ccccc1)C1(C(=O)O)CC1 |
| Synonyms | 145591-80-6,
1-(Phenylcarbamoyl)cyclopropanecarboxylic acid,
1-(phenylcarbamoyl)cyclopropane-1-carboxylic acid,
Cyclopropanecarboxylic acid, 1-[(phenylamino)carbonyl]-,
1-(phenylaminocarbonyl)cyclopropanecarboxylic acid,
SCHEMBL106428,
SCHEMBL11292005,
KDXROTVXLGAFGW-UHFFFAOYSA-N,
CS-M2316,
MFCD16669493,
ZINC50289581,
AKOS011376246,
CS-14708,
1-phenylcarbamoyl-cyclopropanecarboxylic acid,
Cyclopropanecarboxylic acid,1-[(phenylaMino)carbonyl]-,
Z1614607478,
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| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.213g/mol |
| Monoisotopic Mass | 205.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number